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Sep 2

The Alignment Ceiling: Objective Mismatch in Reinforcement Learning from Human Feedback

Reinforcement learning from human feedback (RLHF) has emerged as a powerful technique to make large language models (LLMs) more capable in complex settings. RLHF proceeds as collecting human preference data, training a reward model on said data, and optimizing a base ML model with respect to said reward for extrinsic evaluation metrics (e.g. MMLU, GSM8k). RLHF relies on many assumptions about how the various pieces fit together, such as a reward model capturing human preferences and an RL optimizer extracting the right signal from a reward model. As the RLHF process involves many distinct design decisions, it is easy to assume that multiple processes are correlated and therefore numerically linked. This apparent correlation is often not true, where reward models are easily overoptimized or RL optimizers can reduce performance on tasks not modeled in the data. Notable manifestations of models trained with imperfect RLHF systems are those that are prone to refusing basic requests for safety reasons or appearing lazy in generations. As chat model evaluation becomes increasingly nuanced, the reliance on a perceived link between reward model training, RL scores, and downstream performance drives these issues, which we describe as an objective mismatch. In this paper, we illustrate the causes of this issue, reviewing relevant literature from model-based reinforcement learning, and argue for solutions. By solving objective mismatch in RLHF, the ML models of the future will be more precisely aligned to user instructions for both safety and helpfulness.

Current state of LLM Risks and AI Guardrails

Large language models (LLMs) have become increasingly sophisticated, leading to widespread deployment in sensitive applications where safety and reliability are paramount. However, LLMs have inherent risks accompanying them, including bias, potential for unsafe actions, dataset poisoning, lack of explainability, hallucinations, and non-reproducibility. These risks necessitate the development of "guardrails" to align LLMs with desired behaviors and mitigate potential harm. This work explores the risks associated with deploying LLMs and evaluates current approaches to implementing guardrails and model alignment techniques. We examine intrinsic and extrinsic bias evaluation methods and discuss the importance of fairness metrics for responsible AI development. The safety and reliability of agentic LLMs (those capable of real-world actions) are explored, emphasizing the need for testability, fail-safes, and situational awareness. Technical strategies for securing LLMs are presented, including a layered protection model operating at external, secondary, and internal levels. System prompts, Retrieval-Augmented Generation (RAG) architectures, and techniques to minimize bias and protect privacy are highlighted. Effective guardrail design requires a deep understanding of the LLM's intended use case, relevant regulations, and ethical considerations. Striking a balance between competing requirements, such as accuracy and privacy, remains an ongoing challenge. This work underscores the importance of continuous research and development to ensure the safe and responsible use of LLMs in real-world applications.

A Comprehensive Survey of Evaluation Techniques for Recommendation Systems

The effectiveness of recommendation systems is pivotal to user engagement and satisfaction in online platforms. As these recommendation systems increasingly influence user choices, their evaluation transcends mere technical performance and becomes central to business success. This paper addresses the multifaceted nature of recommendations system evaluation by introducing a comprehensive suite of metrics, each tailored to capture a distinct aspect of system performance. We discuss * Similarity Metrics: to quantify the precision of content-based filtering mechanisms and assess the accuracy of collaborative filtering techniques. * Candidate Generation Metrics: to evaluate how effectively the system identifies a broad yet relevant range of items. * Predictive Metrics: to assess the accuracy of forecasted user preferences. * Ranking Metrics: to evaluate the effectiveness of the order in which recommendations are presented. * Business Metrics: to align the performance of the recommendation system with economic objectives. Our approach emphasizes the contextual application of these metrics and their interdependencies. In this paper, we identify the strengths and limitations of current evaluation practices and highlight the nuanced trade-offs that emerge when optimizing recommendation systems across different metrics. The paper concludes by proposing a framework for selecting and interpreting these metrics to not only improve system performance but also to advance business goals. This work is to aid researchers and practitioners in critically assessing recommendation systems and fosters the development of more nuanced, effective, and economically viable personalization strategies. Our code is available at GitHub - https://github.com/aryan-jadon/Evaluation-Metrics-for-Recommendation-Systems.

Cosmic reflections I: the structural diversity of simulated and observed low-mass galaxy analogues

Dwarf galaxies serve as powerful laboratories for investigating the underlying physics of galaxy evolution including the impact of baryonic feedback processes and environmental influences. We compare the visual and structural properties of dwarf galaxies in ultra-deep HSC-SSP imaging of the COSMOS field with those measured from realistic HSC-like synthetic observations of dwarfs generated by the Illustris TNG50 and NewHorizon simulations. Using S\'ersic profile fitting and non-parametric morphological metrics (Gini, M_{20}, asymmetry, and concentration), we evaluate the diversity of structural properties in observed and simulated galaxies. Our analysis shows that NewHorizon and TNG50 galaxies lie at opposite extremes of observed structural trends: NewHorizon produces diffuse, extended galaxies with shallow S\'ersic indices, while TNG50 yields compact, concentrated systems with steep indices. Both simulations reproduce observed structural trends more closely at higher stellar masses (M_{star}sim10^{9.5} {rm M_{odot}}) but fail to capture the full diversity of COSMOS dwarfs at lower masses. Non-parametric metrics further show that NewHorizon galaxies exhibit more uneven, clumpy light distributions while TNG50 galaxies have smoother but excessively concentrated profiles. These structural differences reflect underlying differences in their physical prescriptions and are likely driven by differing approaches to ISM physics, supernova feedback and star formation in addition to differences in numerical resolution. Our findings highlight the unique power of low-mass galaxies to constrain differences in simulation physics, especially star formation and feedback. Upcoming surveys from facilities like the Vera C. Rubin Observatory and Euclid will enable more rigorous comparisons with simulations, offering deeper insights into the physical processes shaping galaxy evolution.

Leveraging Intrinsic Properties for Non-Rigid Garment Alignment

We address the problem of aligning real-world 3D data of garments, which benefits many applications such as texture learning, physical parameter estimation, generative modeling of garments, etc. Existing extrinsic methods typically perform non-rigid iterative closest point and struggle to align details due to incorrect closest matches and rigidity constraints. While intrinsic methods based on functional maps can produce high-quality correspondences, they work under isometric assumptions and become unreliable for garment deformations which are highly non-isometric. To achieve wrinkle-level as well as texture-level alignment, we present a novel coarse-to-fine two-stage method that leverages intrinsic manifold properties with two neural deformation fields, in the 3D space and the intrinsic space, respectively. The coarse stage performs a 3D fitting, where we leverage intrinsic manifold properties to define a manifold deformation field. The coarse fitting then induces a functional map that produces an alignment of intrinsic embeddings. We further refine the intrinsic alignment with a second neural deformation field for higher accuracy. We evaluate our method with our captured garment dataset, GarmCap. The method achieves accurate wrinkle-level and texture-level alignment and works for difficult garment types such as long coats. Our project page is https://jsnln.github.io/iccv2023_intrinsic/index.html.

YOCO: You Only Calibrate Once for Accurate Extrinsic Parameter in LiDAR-Camera Systems

In a multi-sensor fusion system composed of cameras and LiDAR, precise extrinsic calibration contributes to the system's long-term stability and accurate perception of the environment. However, methods based on extracting and registering corresponding points still face challenges in terms of automation and precision. This paper proposes a novel fully automatic extrinsic calibration method for LiDAR-camera systems that circumvents the need for corresponding point registration. In our approach, a novel algorithm to extract required LiDAR correspondence point is proposed. This method can effectively filter out irrelevant points by computing the orientation of plane point clouds and extracting points by applying distance- and density-based thresholds. We avoid the need for corresponding point registration by introducing extrinsic parameters between the LiDAR and camera into the projection of extracted points and constructing co-planar constraints. These parameters are then optimized to solve for the extrinsic. We validated our method across multiple sets of LiDAR-camera systems. In synthetic experiments, our method demonstrates superior performance compared to current calibration techniques. Real-world data experiments further confirm the precision and robustness of the proposed algorithm, with average rotation and translation calibration errors between LiDAR and camera of less than 0.05 degree and 0.015m, respectively. This method enables automatic and accurate extrinsic calibration in a single one step, emphasizing the potential of calibration algorithms beyond using corresponding point registration to enhance the automation and precision of LiDAR-camera system calibration.

STARC: A General Framework For Quantifying Differences Between Reward Functions

In order to solve a task using reinforcement learning, it is necessary to first formalise the goal of that task as a reward function. However, for many real-world tasks, it is very difficult to manually specify a reward function that never incentivises undesirable behaviour. As a result, it is increasingly popular to use reward learning algorithms, which attempt to learn a reward function from data. However, the theoretical foundations of reward learning are not yet well-developed. In particular, it is typically not known when a given reward learning algorithm with high probability will learn a reward function that is safe to optimise. This means that reward learning algorithms generally must be evaluated empirically, which is expensive, and that their failure modes are difficult to anticipate in advance. One of the roadblocks to deriving better theoretical guarantees is the lack of good methods for quantifying the difference between reward functions. In this paper we provide a solution to this problem, in the form of a class of pseudometrics on the space of all reward functions that we call STARC (STAndardised Reward Comparison) metrics. We show that STARC metrics induce both an upper and a lower bound on worst-case regret, which implies that our metrics are tight, and that any metric with the same properties must be bilipschitz equivalent to ours. Moreover, we also identify a number of issues with reward metrics proposed by earlier works. Finally, we evaluate our metrics empirically, to demonstrate their practical efficacy. STARC metrics can be used to make both theoretical and empirical analysis of reward learning algorithms both easier and more principled.

A Domain-Agnostic Approach for Characterization of Lifelong Learning Systems

Despite the advancement of machine learning techniques in recent years, state-of-the-art systems lack robustness to "real world" events, where the input distributions and tasks encountered by the deployed systems will not be limited to the original training context, and systems will instead need to adapt to novel distributions and tasks while deployed. This critical gap may be addressed through the development of "Lifelong Learning" systems that are capable of 1) Continuous Learning, 2) Transfer and Adaptation, and 3) Scalability. Unfortunately, efforts to improve these capabilities are typically treated as distinct areas of research that are assessed independently, without regard to the impact of each separate capability on other aspects of the system. We instead propose a holistic approach, using a suite of metrics and an evaluation framework to assess Lifelong Learning in a principled way that is agnostic to specific domains or system techniques. Through five case studies, we show that this suite of metrics can inform the development of varied and complex Lifelong Learning systems. We highlight how the proposed suite of metrics quantifies performance trade-offs present during Lifelong Learning system development - both the widely discussed Stability-Plasticity dilemma and the newly proposed relationship between Sample Efficient and Robust Learning. Further, we make recommendations for the formulation and use of metrics to guide the continuing development of Lifelong Learning systems and assess their progress in the future.

Unsupervised Discovery of Formulas for Mathematical Constants

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with "near-true" formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for pi, ln(2), Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.

Cousins Of The Vendi Score: A Family Of Similarity-Based Diversity Metrics For Science And Machine Learning

Measuring diversity accurately is important for many scientific fields, including machine learning (ML), ecology, and chemistry. The Vendi Score was introduced as a generic similarity-based diversity metric that extends the Hill number of order q=1 by leveraging ideas from quantum statistical mechanics. Contrary to many diversity metrics in ecology, the Vendi Score accounts for similarity and does not require knowledge of the prevalence of the categories in the collection to be evaluated for diversity. However, the Vendi Score treats each item in a given collection with a level of sensitivity proportional to the item's prevalence. This is undesirable in settings where there is a significant imbalance in item prevalence. In this paper, we extend the other Hill numbers using similarity to provide flexibility in allocating sensitivity to rare or common items. This leads to a family of diversity metrics -- Vendi scores with different levels of sensitivity -- that can be used in a variety of applications. We study the properties of the scores in a synthetic controlled setting where the ground truth diversity is known. We then test their utility in improving molecular simulations via Vendi Sampling. Finally, we use the Vendi scores to better understand the behavior of image generative models in terms of memorization, duplication, diversity, and sample quality.

Do logarithmic proximity measures outperform plain ones in graph clustering?

We consider a number of graph kernels and proximity measures including commute time kernel, regularized Laplacian kernel, heat kernel, exponential diffusion kernel (also called "communicability"), etc., and the corresponding distances as applied to clustering nodes in random graphs and several well-known datasets. The model of generating random graphs involves edge probabilities for the pairs of nodes that belong to the same class or different predefined classes of nodes. It turns out that in most cases, logarithmic measures (i.e., measures resulting after taking logarithm of the proximities) perform better while distinguishing underlying classes than the "plain" measures. A comparison in terms of reject curves of inter-class and intra-class distances confirms this conclusion. A similar conclusion can be made for several well-known datasets. A possible origin of this effect is that most kernels have a multiplicative nature, while the nature of distances used in cluster algorithms is an additive one (cf. the triangle inequality). The logarithmic transformation is a tool to transform the first nature to the second one. Moreover, some distances corresponding to the logarithmic measures possess a meaningful cutpoint additivity property. In our experiments, the leader is usually the logarithmic Communicability measure. However, we indicate some more complicated cases in which other measures, typically, Communicability and plain Walk, can be the winners.

A noncommutative Bianchi I model with radiation

In the present work, we study the dynamical evolution of an homogeneous and anisotropic, noncommutative (NC) Bianchi I (BI) model coupled to a radiation perfect fluid. Our first motivation is determining if the present model tends to an homogeneous and isotropic NC Friedmann-Robertson-Walker (FRW) model, during its evolution. In order to simplify our task, we use the Misner parametrization of the BI metric. In terms of that parametrization the BI metric has three metric functions: the scale factor a(t) and the two parameters beta_pm (t), which measure the spatial anisotropy of the model. Our second motivation is trying to describe the present accelerated expansion of the universe using noncommutativity (NCTY). The NCTY is introduced by two nontrivial Poisson brackets between some geometrical as well as matter variables of the model. We recover the description in terms of commutative variables by introducing some variables transformations that depend on the NC parameter. Using those variables transformations, we rewrite the total NC Hamiltonian of the model in terms of commutative variables. From the resulting Hamiltonian, we obtain the dynamical equations for a generic perfect fluid. In order to solve these equations, we restrict our attention to a model where the perfect fluid is radiation. We solve, numerically, these equations and compare the NC solutions to the corresponding commutative ones. The comparison shows that the NC model may be considered as a possible candidate for describing the accelerated expansion of the universe. Finally, we obtain estimates for the NC parameter and compare the main results of the NC BI model coupled to radiation with the same NC BI model coupled to other perfect fluids. As our main result, we show that the solutions, after some time, produce an isotropic universe.

Scalable Diffusion for Materials Generation

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

ExoMiner++ on TESS with Transfer Learning from Kepler: Transit Classification and Vetting Catalog for 2-min Data

We present ExoMiner++, an enhanced deep learning model that builds on the success of ExoMiner to improve transit signal classification in 2-minute TESS data. ExoMiner++ incorporates additional diagnostic inputs, including periodogram, flux trend, difference image, unfolded flux, and spacecraft attitude control data, all of which are crucial for effectively distinguishing transit signals from more challenging sources of false positives. To further enhance performance, we leverage transfer learning from high-quality labeled data from the Kepler space telescope, mitigating the impact of TESS's noisier and more ambiguous labels. ExoMiner++ achieves high accuracy across various classification and ranking metrics, significantly narrowing the search space for follow-up investigations to confirm new planets. To serve the exoplanet community, we introduce new TESS catalogs containing ExoMiner++ classifications and confidence scores for each transit signal. Among the 147,568 unlabeled TCEs, ExoMiner++ identifies 7,330 as planet candidates, with the remainder classified as false positives. These 7,330 planet candidates correspond to 1,868 existing TESS Objects of Interest (TOIs), 69 Community TESS Objects of Interest (CTOIs), and 50 newly introduced CTOIs. 1,797 out of the 2,506 TOIs previously labeled as planet candidates in ExoFOP are classified as planet candidates by ExoMiner++. This reduction in plausible candidates combined with the excellent ranking quality of ExoMiner++ allows the follow-up efforts to be focused on the most likely candidates, increasing the overall planet yield.

Monash University, UEA, UCR Time Series Extrinsic Regression Archive

Time series research has gathered lots of interests in the last decade, especially for Time Series Classification (TSC) and Time Series Forecasting (TSF). Research in TSC has greatly benefited from the University of California Riverside and University of East Anglia (UCR/UEA) Time Series Archives. On the other hand, the advancement in Time Series Forecasting relies on time series forecasting competitions such as the Makridakis competitions, NN3 and NN5 Neural Network competitions, and a few Kaggle competitions. Each year, thousands of papers proposing new algorithms for TSC and TSF have utilized these benchmarking archives. These algorithms are designed for these specific problems, but may not be useful for tasks such as predicting the heart rate of a person using photoplethysmogram (PPG) and accelerometer data. We refer to this problem as Time Series Extrinsic Regression (TSER), where we are interested in a more general methodology of predicting a single continuous value, from univariate or multivariate time series. This prediction can be from the same time series or not directly related to the predictor time series and does not necessarily need to be a future value or depend heavily on recent values. To the best of our knowledge, research into TSER has received much less attention in the time series research community and there are no models developed for general time series extrinsic regression problems. Most models are developed for a specific problem. Therefore, we aim to motivate and support the research into TSER by introducing the first TSER benchmarking archive. This archive contains 19 datasets from different domains, with varying number of dimensions, unequal length dimensions, and missing values. In this paper, we introduce the datasets in this archive and did an initial benchmark on existing models.

Learning to Normalize on the SPD Manifold under Bures-Wasserstein Geometry

Covariance matrices have proven highly effective across many scientific fields. Since these matrices lie within the Symmetric Positive Definite (SPD) manifold - a Riemannian space with intrinsic non-Euclidean geometry, the primary challenge in representation learning is to respect this underlying geometric structure. Drawing inspiration from the success of Euclidean deep learning, researchers have developed neural networks on the SPD manifolds for more faithful covariance embedding learning. A notable advancement in this area is the implementation of Riemannian batch normalization (RBN), which has been shown to improve the performance of SPD network models. Nonetheless, the Riemannian metric beneath the existing RBN might fail to effectively deal with the ill-conditioned SPD matrices (ICSM), undermining the effectiveness of RBN. In contrast, the Bures-Wasserstein metric (BWM) demonstrates superior performance for ill-conditioning. In addition, the recently introduced Generalized BWM (GBWM) parameterizes the vanilla BWM via an SPD matrix, allowing for a more nuanced representation of vibrant geometries of the SPD manifold. Therefore, we propose a novel RBN algorithm based on the GBW geometry, incorporating a learnable metric parameter. Moreover, the deformation of GBWM by matrix power is also introduced to further enhance the representational capacity of GBWM-based RBN. Experimental results on different datasets validate the effectiveness of our proposed method.

What are the best systems? New perspectives on NLP Benchmarking

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

AlphaEval: A Comprehensive and Efficient Evaluation Framework for Formula Alpha Mining

Formula alpha mining, which generates predictive signals from financial data, is critical for quantitative investment. Although various algorithmic approaches-such as genetic programming, reinforcement learning, and large language models-have significantly expanded the capacity for alpha discovery, systematic evaluation remains a key challenge. Existing evaluation metrics predominantly include backtesting and correlation-based measures. Backtesting is computationally intensive, inherently sequential, and sensitive to specific strategy parameters. Correlation-based metrics, though efficient, assess only predictive ability and overlook other crucial properties such as temporal stability, robustness, diversity, and interpretability. Additionally, the closed-source nature of most existing alpha mining models hinders reproducibility and slows progress in this field. To address these issues, we propose AlphaEval, a unified, parallelizable, and backtest-free evaluation framework for automated alpha mining models. AlphaEval assesses the overall quality of generated alphas along five complementary dimensions: predictive power, stability, robustness to market perturbations, financial logic, and diversity. Extensive experiments across representative alpha mining algorithms demonstrate that AlphaEval achieves evaluation consistency comparable to comprehensive backtesting, while providing more comprehensive insights and higher efficiency. Furthermore, AlphaEval effectively identifies superior alphas compared to traditional single-metric screening approaches. All implementations and evaluation tools are open-sourced to promote reproducibility and community engagement.

LaajMeter: A Framework for LaaJ Evaluation

Large Language Models (LLMs) are increasingly used as evaluators in natural language processing tasks, a paradigm known as LLM-as-a-Judge (LaaJ). While effective in general domains, LaaJs pose significant challenges in domain-specific contexts, where annotated data is scarce and expert evaluation is costly. In such cases, meta-evaluation is often performed using metrics that have not been validated for the specific domain in which they are applied. As a result, it becomes difficult to determine which metrics effectively identify LaaJ quality, and further, what threshold indicates sufficient evaluator performance. In this work, we introduce LaaJMeter, a simulation-based framework for controlled meta-evaluation of LaaJs. LaaJMeter enables engineers to generate synthetic data representing virtual models and judges, allowing systematic analysis of evaluation metrics under realistic conditions. This helps practitioners validate and refine LaaJs for specific evaluation tasks: they can test whether their metrics correctly distinguish between better and worse (virtual) LaaJs, and estimate appropriate thresholds for evaluator adequacy. We demonstrate the utility of LaaJMeter in a code translation task involving a legacy programming language, showing how different metrics vary in sensitivity to evaluator quality. Our results highlight the limitations of common metrics and the importance of principled metric selection. LaaJMeter provides a scalable and extensible solution for assessing LaaJs in low-resource settings, contributing to the broader effort to ensure trustworthy and reproducible evaluation in NLP.