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Nov 13

InfiMed-ORBIT: Aligning LLMs on Open-Ended Complex Tasks via Rubric-Based Incremental Training

Large Language Models (LLMs) have shown substantial advances through reinforcement learning (RL), particularly in domains where rewards can be programmatically verified, such as mathematics and code. In these areas, models benefit from a well-defined operational base guided by explicit rule-based objectives. However, this progress reveals a significant limitation: in open-ended domains where rewards are ambiguous, subjective, or context-dependent, such as creative writing, scientific reasoning, and notably medical consultation, robust reward functions are lacking, making these areas challenging for current RL strategies. To bridge this gap, we introduce ORBIT, an open-ended rubric-based incremental training framework specifically designed for high-stakes medical dialogue. ORBIT integrates syn- thetic dialogue generation with the dynamic creation of rubrics, employing these rubrics to direct an incremental RL process. In particular, this approach does not depend on external medical knowledge or manual rules, instead utilizing rubric-guided feedback to shape learning. When implemented on the Qwen3-4B-Instruct model, our method can greatly enhance its performance on the HealthBench-Hard benchmark from 7.0 to 27.2 using only 2k samples, thus achieving state-of-the-art results for models of this scale. Our analysis confirms that rubric-driven RL fos-ters consistent performance gains across diverse consultation scenarios, going beyond simple numerical improvements. These findings underscore rubric-based feedback as a scalable strategy for advancing LLMs in intricate, open-ended tasks.

  • 6 authors
·
Oct 17 2

ORBIT: An Object Property Reasoning Benchmark for Visual Inference Tasks

While vision-language models (VLMs) have made remarkable progress on many popular visual question answering (VQA) benchmarks, it remains unclear whether they abstract and reason over depicted objects. Inspired by human object categorisation, object property reasoning involves identifying and recognising low-level details and higher-level abstractions. While current VQA benchmarks consider a limited set of object property attributes like size, they typically blend perception and reasoning, and lack representativeness in terms of reasoning and image categories. To this end, we introduce a systematic evaluation framework with images of three representative types, three reasoning levels of increasing complexity, and four object property dimensions driven by prior work on commonsense reasoning. We develop a procedure to instantiate this benchmark into ORBIT, a multi-level reasoning VQA benchmark for object properties comprising 360 images paired with a total of 1,080 count-based questions. Experiments with 12 state-of-the-art VLMs in zero-shot settings reveal significant limitations compared to humans, with the best-performing model only reaching 40\% accuracy. VLMs struggle particularly with realistic (photographic) images, counterfactual reasoning about physical and functional properties, and higher counts. ORBIT points to the need to develop methods for scalable benchmarking, generalize annotation guidelines, and explore additional reasoning VLMs. We make the ORBIT benchmark and the experimental code available to support such endeavors.

  • 5 authors
·
Aug 14

OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

We present OrbNet Denali, a machine learning model for electronic structure that is designed as a drop-in replacement for ground-state density functional theory (DFT) energy calculations. The model is a message-passing neural network that uses symmetry-adapted atomic orbital features from a low-cost quantum calculation to predict the energy of a molecule. OrbNet Denali is trained on a vast dataset of 2.3 million DFT calculations on molecules and geometries. This dataset covers the most common elements in bio- and organic chemistry (H, Li, B, C, N, O, F, Na, Mg, Si, P, S, Cl, K, Ca, Br, I) as well as charged molecules. OrbNet Denali is demonstrated on several well-established benchmark datasets, and we find that it provides accuracy that is on par with modern DFT methods while offering a speedup of up to three orders of magnitude. For the GMTKN55 benchmark set, OrbNet Denali achieves WTMAD-1 and WTMAD-2 scores of 7.19 and 9.84, on par with modern DFT functionals. For several GMTKN55 subsets, which contain chemical problems that are not present in the training set, OrbNet Denali produces a mean absolute error comparable to those of DFT methods. For the Hutchison conformers benchmark set, OrbNet Denali has a median correlation coefficient of R^2=0.90 compared to the reference DLPNO-CCSD(T) calculation, and R^2=0.97 compared to the method used to generate the training data (wB97X-D3/def2-TZVP), exceeding the performance of any other method with a similar cost. Similarly, the model reaches chemical accuracy for non-covalent interactions in the S66x10 dataset. For torsional profiles, OrbNet Denali reproduces the torsion profiles of wB97X-D3/def2-TZVP with an average MAE of 0.12 kcal/mol for the potential energy surfaces of the diverse fragments in the TorsionNet500 dataset.

  • 11 authors
·
Jul 1, 2021

Radii, masses, and transit-timing variations of the three-planet system orbiting the naked-eye star TOI-396

TOI-396 is an F6V star (Vapprox6.4) orbited by three transiting planets. The orbital periods of the two innermost planets are close to the 5:3 commensurability (P_b sim3.6 d and P_c sim6.0 d). To measure the masses of the three planets, refine their radii, and investigate whether planets b and c are in MMR, we carried out HARPS RV observations and retrieved photometric data from TESS. We extracted the RVs via a skew-normal fit onto the HARPS CCFs and performed an MCMC joint analysis of the Doppler measurements and transit photometry, while employing the breakpoint method to remove stellar activity from the RV time series. We also performed a thorough TTV dynamical analysis of the system. Our analysis confirms that the three planets have similar sizes: R_b=2.004_{-0.047}^{+0.045}R_{oplus}; R_c=1.979_{-0.051}^{+0.054}R_{oplus}; R_d=2.001_{-0.064}^{+0.063}R_{oplus}. For the first time, we have determined the RV masses for TOI-396b and d: M_b=3.55_{-0.96}^{+0.94}M_{oplus} (rho_b=2.44_{-0.68}^{+0.69} g cm^{-3}) and M_d=7.1pm1.6M_{oplus} (rho_d=4.9_{-1.1}^{+1.2} g cm^{-3}). Our results suggest a quite unusual system architecture, with the outermost planet being the densest. The Doppler reflex motion induced by TOI-396c remains undetected in our RV time series, likely due to the proximity of P_c to the star's rotation period (P_{rot}=6.7pm1.3 d). We also discovered that TOI-396b and c display significant TTVs. While the TTV dynamical analysis returns a formally precise mass for TOI-396c (M_{c,dyn}=2.24^{+0.13}_{-0.67}M_{oplus}), the result might not be accurate owing to the poor sampling of the TTV phase. We also conclude that TOI-396b and c are close to but out of the 5:3 MMR. Our numerical simulation suggests TTV semi-amplitudes of up to 5 hours over a temporal baseline of sim5.2 years.

  • 41 authors
·
Nov 22, 2024

The S2 orbit and tidally disrupted binaries: indications for collisional depletion in the Galactic center

The properties of the stellar cluster surrounding Sagittarius A* can be assessed indirectly through the motion of the S-stars. Specifically, the current accuracy to which the prograde precession of the S2 star is measured allows to place significant constraints on the extended mass enclosed by its orbit. We suggest that high velocity destructive collisions (DCs) offer a natural mechanism for depleting the mass inside the S2 orbit, thus allowing to reconcile the measured precession and the existence of a dense stellar cluster. Such a solution is especially necessary when considering that stars are supplied to the inner part of the cluster by both dynamical relaxation and by stars being captured in tight orbits during tidal disruption of binaries. We use analytic arguments and results from simulations to demonstrate that in order to obtain a precession that is consistent with observations, collisional depletion is necessary if the capture rate is greater than a few 10^{-6} yr^{-1}. We also show that fluctuations arising from the finite number of stars cannot serve as an alternative to DCs for generating consistency with the observed S2 precession. We conclude that astrometric observations of the S-stars provide a meaningful indication that the inner part of our galactic center is shaped by collisional depletion, supporting the hypothesis that DCs occur in galactic nuclei at an astrophysically significant rate.

  • 2 authors
·
Dec 10, 2024

Colors and Dynamics of a Near-Sun Orbital Asteroid Family: 2021 PH27 and 2025 GN1

We observed the dynamically similar near-Sun asteroids 2021 PH27 and 2025 GN1 for their optical colors. These objects have the lowest known semi-major axes of any asteroids. 2021 PH27 has the largest general relativistic effects of any known solar system object. The small semi-major axis and very close passage to the Sun suggests the extreme thermal and gravitational environment should highly modify these asteroids' surfaces. From g', r', i' and z'-band imaging, we find the colors of 2021 PH27 to be between the two major asteroid types the S and C classes (g'-r'= 0.58 +- 0.02, r'-i'=0.12 +- 0.02 and i'-z'=-0.08 +- 0.05 mags). With a spectral slope of 6.8 +-0.03 percent per 100nm, 2021 PH27 is a X-type asteroid and requires albedo or spectral features to further identify its composition. We find the dynamically similar 2025 GN1 also has very similar colors (g'-r'=0.55 +-0.06 and r'-i'=0.14 +-0.04) as 2021 PH27, suggesting these objects are fragments from a once larger parent asteroid or 2021 PH27 is shedding material. The colors are not blue like some other near-Sun asteroids such as 3200 Phaethon that have been interpreted to be from the loss of reddening substances from the extreme temperatures. There is no evidence of activity or a large amplitude period for 2021 PH27, whereas 2025 GN1 might have a more significant rotational light curve. 2025 GN1 may have a very close encounter or hit Venus in about 2155 years and likely separated from 2021 PH27 in about the last 10 kyrs.

  • 9 authors
·
Apr 22

Origin of Phobos and Deimos : Orbital evolution shortly after formation from a potential dislocation

This paper deals with the formation and evolution of Mars' moons, Phobos and Deimos, assuming the dislocation of a larger progenitor as the origin of these moons. The study by Hyodo et al. (2022) argue that under somewhat simplistic modeling, the post-dislocation orbits of Phobos and Deimos inevitably collide within 10,000 years, leading to their mutual annihilation. These findings are based on N-body simulations, accounting for Mars' J_2 and J_4 gravitational perturbations and mutual perturbations between the moons. In this paper, we challenge these findings by extending their work. We incorporate important perturbations such as solar perturbations, Mars' axial precession and nutation, and its deformation along three axes. We also extend some of the hypotheses made by Hyodo et al. (2022) concerning the initial distribution of Phobos and Deimos after the dislocation. Our analysis reveals that including these additional perturbations as well as the possibility of having more than two fragments after the dislocation does not alter the ultimate fate of Phobos and Deimos. The moons still converge towards collision within comparable timescales, supporting Hyodo et al. (2022) conclusions that the dislocation hypothesis under the dynamical scenario developed by Bagheri et al. (2021) has, in the best conditions, about 10\% chance of surviving after the first 100,000 years following their formation.

  • 3 authors
·
Apr 11

PECCARY: A novel approach for characterizing orbital complexity, stochasticity, and regularity

Permutation Entropy and statistiCal Complexity Analysis for astRophYsics (PECCARY) is a computationally inexpensive, statistical method by which any time-series can be characterized as predominantly regular, complex, or stochastic. Elements of the PECCARY method have been used in a variety of physical, biological, economic, and mathematical scenarios, but have not yet gained traction in the astrophysical community. This study introduces the PECCARY technique with the specific aims to motivate its use in and optimize it for the analysis of astrophysical orbital systems. PECCARY works by decomposing a time-dependent measure, such as the x-coordinate or orbital angular momentum time-series, into ordinal patterns. Due to its unique approach and statistical nature, PECCARY is well-suited for detecting preferred and forbidden patterns (a signature of chaos), even when the chaotic behavior is short-lived or when working with a relatively short duration time-series or small sets of time-series data. A variety of examples are used to demonstrate the capabilities of PECCARY. These include mathematical examples (sine waves, varieties of noise, sums of sine waves, well-known chaotic functions), a double pendulum system, and astrophysical tracer particle simulations with potentials of varying intricacies. Since the adopted timescale used to diagnose a given time-series can affect the outcome, a method is presented to identify an ideal sampling scheme, constrained by the overall duration and the natural timescale of the system. The accompanying PECCARY Python package and its usage are discussed.

  • 3 authors
·
Jul 16, 2024

The Impact of Stellar Flares on the Atmospheric Escape of Exoplanets orbiting M stars I: Insights from the AU Mic System

The X-rays and Extreme Ultraviolet (XUV) emission from M stars can drive the atmospheric escape on planets orbiting them. M stars are also known for their frequent emission of stellar flares, which will increase the high-energy flux received by their orbiting planets. To understand how stellar flares impact the primordial atmospheres of planets orbiting young M stars, we use UV spectroscopic data of flares from the Habitable Zones and M dwarf Activity across Time (HAZMAT) and Measurements of the Ultraviolet Spectral Characteristics of Low-mass Exoplanetary Systems (MUSCLES) programs as a proxy to the XUV flare emission. Using the software package VPLanet, we simulate the young AU Mic planetary system composed of two Neptune-sized and one Earth-sized planet orbiting a 23-Myr-old M1 star. Our findings show that the Earth-sized planet AU Mic d should be in the process of losing completely its atmosphere in the next couple million years, solely due to the quiescent emission, with flares not significantly contributing to its atmospheric escape due to the small size of AU mic d and its close-in distance from the star. However, our results indicate that flares would play a crucial role for such planets further away, in the habitable zone (i.e. 0.2935 AU) of AU Mic-like stars during the post-saturation phase, accelerating the total atmospheric loss process by a few billion years. For planets between 0.365 AU and the HZ outer edge, the additional XUV from flares is necessary to deplete primordial atmospheres fully since the quiescent emission alone is insufficient.

  • 4 authors
·
Mar 17

Evaluating Machine Learning Models with NERO: Non-Equivariance Revealed on Orbits

Proper evaluations are crucial for better understanding, troubleshooting, interpreting model behaviors and further improving model performance. While using scalar-based error metrics provides a fast way to overview model performance, they are often too abstract to display certain weak spots and lack information regarding important model properties, such as robustness. This not only hinders machine learning models from being more interpretable and gaining trust, but also can be misleading to both model developers and users. Additionally, conventional evaluation procedures often leave researchers unclear about where and how model fails, which complicates model comparisons and further developments. To address these issues, we propose a novel evaluation workflow, named Non-Equivariance Revealed on Orbits (NERO) Evaluation. The goal of NERO evaluation is to turn focus from traditional scalar-based metrics onto evaluating and visualizing models equivariance, closely capturing model robustness, as well as to allow researchers quickly investigating interesting or unexpected model behaviors. NERO evaluation is consist of a task-agnostic interactive interface and a set of visualizations, called NERO plots, which reveals the equivariance property of the model. Case studies on how NERO evaluation can be applied to multiple research areas, including 2D digit recognition, object detection, particle image velocimetry (PIV), and 3D point cloud classification, demonstrate that NERO evaluation can quickly illustrate different model equivariance, and effectively explain model behaviors through interactive visualizations of the model outputs. In addition, we propose consensus, an alternative to ground truths, to be used in NERO evaluation so that model equivariance can still be evaluated with new, unlabeled datasets.

  • 5 authors
·
May 31, 2023

The Hubble Legacy Fields (HLF-GOODS-S) v1.5 Data Products: Combining 2442 Orbits of GOODS-S/CDF-S Region ACS and WFC3/IR Images

We have submitted to MAST the 1.5 version data release of the Hubble Legacy Fields (HLF) project covering a 25 x 25 arcmin area over the GOODS-S (ECDF-S) region from the HST archival program AR-13252. The release combines exposures from Hubble's two main cameras, the Advanced Camera for Surveys (ACS/WFC) and the Wide Field Camera 3 (WFC3/IR), taken over more than a decade between mid-2002 to the end of 2016. The HLF includes essentially all optical (ACS/WFC F435W, F606W, F775W, F814W and F850LP filters) and infrared (WFC3/ IR F098M, F105W, F125W, F140W and F160W filters) data taken by Hubble over the original CDF-S region including the GOODS-S, ERS, CANDELS and many other programs (31 in total). The data has been released at https://archive.stsci.edu/prepds/hlf/ as images with a common astrometric reference frame, with corresponding inverse variance weight maps. We provide one image per filter of WFC3/IR images at 60 mas per pixel resolution and two ACS/WFC images per filter, at both 30 and 60 mas per pixel. Since this comprehensive dataset combines data from 31 programs on the GOODS-S/CDF-S, the AR proposal identified the MAST products by the global name "Hubble Legacy Field", with this region being identified by "HLF-GOODS-S". This dataset complements that of the Frontier Fields program. The total incorporated in the HLF-GOODS-S is 5.8 Msec in 7211 exposures from 2442 orbits. This is ~70% of a HST full cycle!

  • 10 authors
·
Jun 2, 2016

Stop Regressing: Training Value Functions via Classification for Scalable Deep RL

Value functions are a central component of deep reinforcement learning (RL). These functions, parameterized by neural networks, are trained using a mean squared error regression objective to match bootstrapped target values. However, scaling value-based RL methods that use regression to large networks, such as high-capacity Transformers, has proven challenging. This difficulty is in stark contrast to supervised learning: by leveraging a cross-entropy classification loss, supervised methods have scaled reliably to massive networks. Observing this discrepancy, in this paper, we investigate whether the scalability of deep RL can also be improved simply by using classification in place of regression for training value functions. We demonstrate that value functions trained with categorical cross-entropy significantly improves performance and scalability in a variety of domains. These include: single-task RL on Atari 2600 games with SoftMoEs, multi-task RL on Atari with large-scale ResNets, robotic manipulation with Q-transformers, playing Chess without search, and a language-agent Wordle task with high-capacity Transformers, achieving state-of-the-art results on these domains. Through careful analysis, we show that the benefits of categorical cross-entropy primarily stem from its ability to mitigate issues inherent to value-based RL, such as noisy targets and non-stationarity. Overall, we argue that a simple shift to training value functions with categorical cross-entropy can yield substantial improvements in the scalability of deep RL at little-to-no cost.

  • 12 authors
·
Mar 6, 2024 1

Rapid patient-specific neural networks for intraoperative X-ray to volume registration

The integration of artificial intelligence in image-guided interventions holds transformative potential, promising to extract 3D geometric and quantitative information from conventional 2D imaging modalities during complex procedures. Achieving this requires the rapid and precise alignment of 2D intraoperative images (e.g., X-ray) with 3D preoperative volumes (e.g., CT, MRI). However, current 2D/3D registration methods fail across the broad spectrum of procedures dependent on X-ray guidance: traditional optimization techniques require custom parameter tuning for each subject, whereas neural networks trained on small datasets do not generalize to new patients or require labor-intensive manual annotations, increasing clinical burden and precluding application to new anatomical targets. To address these challenges, we present xvr, a fully automated framework for training patient-specific neural networks for 2D/3D registration. xvr uses physics-based simulation to generate abundant high-quality training data from a patient's own preoperative volumetric imaging, thereby overcoming the inherently limited ability of supervised models to generalize to new patients and procedures. Furthermore, xvr requires only 5 minutes of training per patient, making it suitable for emergency interventions as well as planned procedures. We perform the largest evaluation of a 2D/3D registration algorithm on real X-ray data to date and find that xvr robustly generalizes across a diverse dataset comprising multiple anatomical structures, imaging modalities, and hospitals. Across surgical tasks, xvr achieves submillimeter-accurate registration at intraoperative speeds, improving upon existing methods by an order of magnitude. xvr is released as open-source software freely available at https://github.com/eigenvivek/xvr.

  • 8 authors
·
Mar 20